3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]propyl ethanoate

Systemtic Name: 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]propyl ethanoate Openeye Name: 3-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]propyl acetate CAS Name: acetic acid 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]propyl ester IUPAC Name: 3-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]propyl acetate Traditional Name: acetic acid 3-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]propyl ester Formula: C28H28N2O7S MolecularWeight: 536.59612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCCOC(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCCOC(=O)C)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O7S/c1-20-9-15-25(16-10-20)38(34,35)37-24-13-11-22(12-14-24)19-26(28(33)29-17-6-18-36-21(2)31)30-27(32)23-7-4-3-5-8-23/h3-5,7-16,19H,6,17-18H2,1-2H3,(H,29,33)(H,30,32)/b26-19+